N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H27F3N2O — CID 63828885

IUPACN-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCOC2CCCCC2)CC1
InChIInChI=1S/C15H27F3N2O/c16-15(17,18)12-20-9-6-13(7-10-20)19-8-11-21-14-4-2-1-3-5-14/h13-14,19H,1-12H2
InChIKeyKOXXJVOUTKWRNQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.95
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 63828885) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID63828885
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCOC2CCCCC2)CC1
InChIInChI=1S/C15H27F3N2O/c16-15(17,18)12-20-9-6-13(7-10-20)19-8-11-21-14-4-2-1-3-5-14/h13-14,19H,1-12H2
InChIKeyKOXXJVOUTKWRNQ-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 63828885) is N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCOC2CCCCC2)CC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is KOXXJVOUTKWRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c16-15(17,18)12-20-9-6-13(7-10-20)19-8-11-21-14-4-2-1-3-5-14/h13-14,19H,1-12H2.
What are the key properties of N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 63828885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).